SCHEMBL2672157

SCHEMBL2672157

CC(=O)OCc1ccc2ccc(N(C)C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.50
APP P05067 1/20 0.50
PDE10A Q9Y233 9/20 0.43
SLC16A3 O15427 1/20 0.40
ELANE P08246 1/20 0.39
ALOX5 P09917 2/20 0.39
EGFR P00533 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CNR2 P34972 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12517339 0.90 PDE10A (0.41) TERTPDE10AALOX5CYP1A2CYP2C19
SCHEMBL14925257 0.85 PDE10A (0.38) TERTPDE10AALOX5CYP1A2CYP2C19
SCHEMBL14925219 0.82 PDE10A (0.40) PDE10AALOX5CYP1A2CYP2C19
SCHEMBL14925251 0.80 CYSLTR1 (0.40) PDE10AALOX5
SCHEMBL2671797 0.80 ELANE (0.41) TERTAPPELANECYP1A2CYP2C19
SCHEMBL2223334 0.79 CYP1A2 (0.38) ALOX5CYP1A2CYP2C19
SCHEMBL14925216 0.79 PDE10A (0.34) PDE10AALOX5CYP1A2CYP2C19
SCHEMBL3951224 0.78 GPBAR1 (0.55) PDE10AALOX5CYP1A2CYP2C19
SCHEMBL16246598 0.78 PSMB5 (0.45) TERTAPPPDE10AELANEALOX5
SCHEMBL14925246 0.78 PDE10A (0.37) PDE10AALOX5CYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173620-B2 BHQ-caged nucleotide probes photolysable by two-photon excitation UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-05-08 US disclosed
US-20100048502-A1 BHQ-CAGED NUCLEOTIDE PROBES PHOTOLYSABLE BY TWO-PHOTON EXCITATION NATIONAL SCIENCE FOUNDATION 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048502-A1 BHQ-CAGED NUCLEOTIDE PROBES PHOTOLYSABLE BY TWO-PHOTON EXCITATION NUDT1, RECQL, PNP TERT 683/4885APP 1386/4885PDE10A 875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.